tert-butyl-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane

C22H31NO2Si — CID 135009384

IUPACtert-butyl-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane
SMILESCOC[C@@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1
InChIInChI=1S/C22H31NO2Si/c1-22(2,3)26(20-11-7-5-8-12-20,21-13-9-6-10-14-21)25-19-15-18(17-24-4)23-16-19/h5-14,18-19,23H,15-17H2,1-4H3/t18-,19+/m0/s1
InChIKeyNOSFAJBBSGTCTR-RBUKOAKNSA-N
MW369.58 g/mol
LogP2.94
Rot. Bonds6

About tert-butyl-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane

tert-butyl-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane (PubChem CID 135009384) has the molecular formula C22H31NO2Si and a molecular weight of 369.58 g/mol. Its IUPAC name is tert-butyl-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane
PubChem CID135009384
Molecular FormulaC22H31NO2Si
Molecular Weight369.58 g/mol
Exact Mass369.21
IUPAC Nametert-butyl-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane
SMILESCOC[C@@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1
InChIInChI=1S/C22H31NO2Si/c1-22(2,3)26(20-11-7-5-8-12-20,21-13-9-6-10-14-21)25-19-15-18(17-24-4)23-16-19/h5-14,18-19,23H,15-17H2,1-4H3/t18-,19+/m0/s1
InChIKeyNOSFAJBBSGTCTR-RBUKOAKNSA-N
XLogP2.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.58
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane (CID 135009384) is tert-butyl-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane is COC[C@@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1.
What is the InChIKey of tert-butyl-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane?
The InChIKey is NOSFAJBBSGTCTR-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H31NO2Si/c1-22(2,3)26(20-11-7-5-8-12-20,21-13-9-6-10-14-21)25-19-15-18(17-24-4)23-16-19/h5-14,18-19,23H,15-17H2,1-4H3/t18-,19+/m0/s1.
What are the key properties of tert-butyl-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane?
tert-butyl-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane has a molecular weight of 369.58 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane is sourced from PubChem (CID 135009384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).